Lista de obras -

ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness

artículo científico publicado en 2018

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

artículo científico publicado en 2018

Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery

artículo científico publicado en 2020

Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor

scientific article published on 04 March 2020

Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.

artículo científico publicado en 2017

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

scientific article published on 10 January 2019

Correction to "admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties"

scientific article published on 29 October 2019

Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents

scientific article published on 22 January 2020

Drug Repurposing of Histone Deacetylase Inhibitors That Alleviate Neutrophilic Inflammation in Acute Lung Injury and Idiopathic Pulmonary Fibrosis via Inhibiting Leukotriene A4 Hydrolase and Blocking LTB4 Biosynthesis.

artículo científico publicado en 2017

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark.

artículo científico publicado en 2017

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods.

artículo científico publicado en 2017

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

scientific article published on 11 March 2019

In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models

scientific article published on 28 January 2020

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

scientific article published on 25 January 2019

In silico prediction of chemical genotoxicity using machine learning methods and structural alerts

scientific article published on 15 December 2017

In silico prediction of chemical reproductive toxicity using machine learning

artículo científico publicado en 2019

In silico prediction of chemical subcellular localization via multi-classification methods

scientific article published on 29 March 2017

In silico prediction of pesticide aquatic toxicity with chemical category approaches

scientific article published on 31 July 2017

Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology

artículo científico publicado en 2020

Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches

artículo científico publicado en 2021

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

scientific article published on 21 May 2018

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods

scientific article published on 08 November 2018

Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy

artículo científico publicado en 2017

Lista de obras de

ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

Computational Approaches to Identify Structural Alerts and Their Applications in Environmental Toxicology and Drug Discovery

Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor

Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

Correction to "admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties"

Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents

Drug Repurposing of Histone Deacetylase Inhibitors That Alleviate Neutrophilic Inflammation in Acute Lung Injury and Idiopathic Pulmonary Fibrosis via Inhibiting Leukotriene A4 Hydrolase and Blocking LTB4 Biosynthesis.

Evaluation of Different Methods for Identification of Structural Alerts Using Chemical Ames Mutagenicity Data Set as a Benchmark.

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods.

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

In Silico Prediction of Human Renal Clearance of Compounds Using Quantitative Structure-Pharmacokinetic Relationship Models

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning

In silico prediction of chemical genotoxicity using machine learning methods and structural alerts

In silico prediction of chemical reproductive toxicity using machine learning

In silico prediction of chemical subcellular localization via multi-classification methods

In silico prediction of pesticide aquatic toxicity with chemical category approaches

Insights into the Molecular Mechanisms of Liuwei Dihuang Decoction via Network Pharmacology

Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods

Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy